SCHEMBL18128200

SCHEMBL18128200

CC1Oc2ccccc2N(F)C1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAOA P21397 1/20 0.43
PARP1 P09874 1/20 0.43
ATM Q13315 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5551997 0.80 TSHR (0.40) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3401752 0.79 TSHR (0.51) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL29354025 0.79 TSHR (0.51) TSHRMEN1KMT2AALDH1A1L3MBTL1
2-Methyl-D-Diboa SCHEMBL13135829 0.78 ALDH1A1 (0.54) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL22770046 0.76 TSHR (0.37) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL22770045 0.76 TSHR (0.37) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7349339 0.75 PDE3B (0.49) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21483641 0.75 TSHR (0.62) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7340192 0.75 PDE3B (0.53) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5159362 0.72 TSHR (0.58) TSHRMEN1KMT2AALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868749-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-01-16 US disclosed
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity EVOTEC (UK) LTD. (GB) 2016-10-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 TSHR 753/4885MEN1 3434/4885KMT2A 4312/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.